Chemical Properties of 4-Bromo-alpha-(dimethylamino)-o-cresol (CAS 42313-79-1)

InChI

InChI=1S/C9H12BrNO/c1-11(2)6-7-5-8(10)3-4-9(7)12/h3-5,12H,6H2,1-2H3

InChI Key

VKWZAKOXYMCAER-UHFFFAOYSA-N

Formula

C9H12BrNO

SMILES

CN(C)Cc1cc(Br)ccc1O

Molecular Weight¹

230.10

CAS

42313-79-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[336.47; 397.09]	J/mol×K	[596.20; 829.90]
Cp,gas	336.47	J/mol×K	596.20	Joback Calculated Property
Cp,gas	348.47	J/mol×K	635.15	Joback Calculated Property
Cp,gas	359.57	J/mol×K	674.10	Joback Calculated Property
Cp,gas	369.87	J/mol×K	713.05	Joback Calculated Property
Cp,gas	379.49	J/mol×K	752.00	Joback Calculated Property
Cp,gas	388.52	J/mol×K	790.95	Joback Calculated Property
Cp,gas	397.09	J/mol×K	829.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromo-alpha-(dimethylamino)-o-cresol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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